1. Forschungszentrum Jülich GmbH, Institute of Energy and Climate Research – Nuclear Waste Management and Reactor Safety (IEK-6) , 52425 Jülich , Germany ; JARA High-Performance Computing , Schinkelstrasse 2 , 52062 Aachen , Germany
2. Forschungszentrum Jülich, Institute of Energy and Climate Research – Materials Synthesis and Processing (IEK-1) , 52425 Jülich , Germany
3. Karlsruhe Institute of Technology, Institute for Applied Materials (IAM) , 76021 Karlsruhe , Germany